HMDB0250893 RDKit 3D N-(4-(7-Diethylamino 4-methylcoumarin-3-yl)phenyl)iodoacetamide 51 53 0 0 0 0 0 0 0 0999 V2000 -6.2100 0.3415 -2.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 0.8521 -1.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0685 -0.1959 -0.5131 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9843 -1.2419 -0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8884 -0.6632 1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6775 -0.2124 -0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1077 -1.1355 0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7627 -1.2033 0.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -0.3112 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4262 -0.3920 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9615 -1.4095 1.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2334 0.4942 -0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6758 0.4871 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 1.1722 1.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5218 1.2365 1.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4302 0.5716 0.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 0.6567 0.8544 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8696 0.0483 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6984 -0.6584 -0.8505 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2695 0.2777 0.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6226 -0.7668 -0.5576 I 0 0 0 0 0 0 0 0 0 0 0 0 4.9398 -0.1166 -0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5706 -0.1620 -0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6265 1.3988 -1.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4015 2.2109 -1.6763 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6619 1.4532 -1.3029 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4769 0.6056 -0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8494 0.6656 -0.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7817 -0.6611 -2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9346 1.0607 -3.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3121 0.2184 -2.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0406 1.7071 -1.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6266 1.2178 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4637 -2.1359 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6493 -1.4738 -0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2468 -1.4543 1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3328 0.1009 1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7344 -0.1056 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7478 -1.8360 1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3147 -1.9244 1.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9404 -2.4347 0.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4623 -1.3396 2.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0348 -1.1647 1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 1.7005 1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9035 1.7897 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0957 1.2390 1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3257 0.0495 1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4679 1.3758 0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5588 -0.6478 -1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1978 -0.7074 -1.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1776 1.4228 -1.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 3 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 16 22 1 0 22 23 2 0 12 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 2 0 28 6 1 0 27 9 1 0 23 13 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 5 38 1 0 7 39 1 0 8 40 1 0 11 41 1 0 11 42 1 0 11 43 1 0 14 44 1 0 15 45 1 0 17 46 1 0 20 47 1 0 20 48 1 0 22 49 1 0 23 50 1 0 28 51 1 0 M END